Related Experiment Video
Updated: May 3, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Multicomponent lattice Boltzmann equation method with a discontinuous hydrodynamic interface
1Materials and Engineering Research Institute, Sheffield Hallam University, Sheffield S1 1WB, United Kingdom.
Abstract:
In the multicomponent lattice Boltzmann equation simulation method (MCLB), applied to the continuum regime of fluid flow, the finite width of the fluid-fluid interface introduces unphysical scales. We present a practical, robust, computationally efficient, and easy to implement solution to this problem which needs only low order interpolation to be stable and accurate and is applicable to any MCLB variant which uses a continuous phase field to distinguish between immiscible fluids with arrested coalescence. Our method extends the ideas of Kim and Pitsch, [Phys. Fluids 19, 108101 (2007)] and uses no external force distribution whatsoever to generate continuum interfacial physics, i.e., the Laplace law and no traction conditions on interfacial stresses. As such, it is amenable to the simplest form of Chapman-Enskog analysis used for lattice Boltzmann models. We assess our method and proceed to compare key results obtained with it against other equivalent data, obtained using the established continuum regime MCLB technique based upon the work of Lishchuk, Care, and Halliday, [Phys. Rev. E 67, 036701 (2003)] and Halliday, Hollis, and Care, [Phys. Rev. E 76, 026708 (2007)], quantifying performance in terms of the minimum feasible capillary available to simulation using that technique.
Related Concept Videos
Steady, Laminar Flow Between Parallel Plates
Magnetostatic Boundary Conditions
The Electrical Double Layer
Navier–Stokes Equations
Electrostatic Boundary Conditions in Dielectrics
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity....
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model

